0 mol 55 unq 0 iso 0 dist 8.51194 4.70371 10.3609 8.74807 6.40935 11.7367 numMergedOcc 0
1 mol 55 unq 1 iso 0 dist 8.51194 4.70371 10.3609 8.05456 14.0885 5.50549 numMergedOcc 0
2 mol 55 unq 2 iso 0 dist 8.51194 8.74565 4.26654 8.74807 6.40935 5.43855 numMergedOcc 0
3 mol 55 unq 3 iso 0 dist 8.51194 8.74565 4.26654 8.05456 14.0885 15.5643 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 8.22841 5.97418 9.39417 8.46207 14.4069 6.29462 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 5.74014 5.97418 5.30715 8.46207 10.7834 6.29462 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 6.69386 7.30392 5.95499 9.11976 12.4156 14.7238 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 9.09269 7.30392 16.2245 9.11976 9.42457 14.7238 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 7.55718 6.57749 6.26086 4.52009 7.20538 7.28199 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 9.66944 5.72494 4.37349 6.13194 14.9897 11.0116 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 9.66944 8.70106 9.29681 6.13194 14.9897 13.5214 numMergedOcc 0
11 mol 104 unq 0 iso 0 dist 6.12716 8.44593 5.83615 7.43351 4.96991 10.4022 numMergedOcc 0
12 mol 174 unq 0 iso 0 dist 7.97746 5.11555 5.94137 7.66734 4.86466 5.07406 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 5.79795 7.33326 10.5369 8.65373 10.0936 10.3834 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 5.79795 7.33326 10.5369 8.6561 10.6425 6.29739 numMergedOcc 0
15 mol 178 unq 2 iso 0 dist 5.79795 7.33326 10.5369 9.1197 11.9332 4.95286 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 8.86262 7.03216 10.4612 5.16184 6.91511 4.39505 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 8.86262 9.42196 13.4338 5.16184 6.91511 11.2827 numMergedOcc 0
18 mol 182 unq 2 iso 0 dist 7.23874 7.03216 5.3582 5.16184 4.98443 4.39505 numMergedOcc 0
19 mol 182 unq 3 iso 0 dist 7.23874 9.42196 8.2857 5.16184 4.98443 11.2827 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 8.54623 5.99974 10.6534 7.00749 11.8348 8.15721 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 6.83804 5.2376 5.0997 8.77267 6.90885 9.16344 numMergedOcc 0
22 mol 261 unq 0 iso 0 dist 8.40312 9.0643 8.71174 8.9569 5.26963 12.8275 numMergedOcc 0
23 mol 261 unq 1 iso 0 dist 8.40312 7.4202 5.96556 8.9569 5.26963 7.11734 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 7.07268 9.71938 4.80236 8.85653 7.27711 10.4766 numMergedOcc 0
25 mol 282 unq 0 iso 0 dist 8.07221 7.28238 7.88907 9.40138 16.1355 10.499 numMergedOcc 0
26 mol 282 unq 1 iso 0 dist 8.07221 7.28238 7.88907 8.37963 5.14293 11.1224 numMergedOcc 0
27 mol 282 unq 2 iso 0 dist 8.07221 7.3389 5.6541 9.40138 16.1355 14.9652 numMergedOcc 0
28 mol 282 unq 3 iso 0 dist 8.07221 7.3389 5.6541 8.37963 5.14293 7.59308 numMergedOcc 0
29 mol 284 unq 0 iso 0 dist 7.41633 5.62295 12.6047 9.86647 5.61341 15.479 numMergedOcc 0
30 mol 284 unq 1 iso 0 dist 5.52837 5.62295 10.936 9.86647 5.28356 15.479 numMergedOcc 0
31 mol 284 unq 2 iso 0 dist 6.73163 5.62295 10.1049 9.86647 9.83494 15.479 numMergedOcc 0
